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QuantumATK => General Questions and Answers => Topic started by: kothar on June 1, 2015, 17:00

Title: SiNW Tutorial Doping typo?
Post by: kothar on June 1, 2015, 17:00

Hello,

I may have just found an error in the SiNW (100) tutorial and thought I would check it with the community first. The tutorial I refer to is the "Doping the wire" section of: http://quantumwise.com/documents/tutorials/latest/NanowireDevice/index.html/chap.nanowiredevice.html

In the tutorial, the volume used in the doping script is 320.21 A^3 and it is indicated as the volume of the Si in the electrode. But, the volume in the tutorial is found by inspecting the "Lattice Parameters" after defining the unit cell of the 4x4 nanowire (A=7.68A, B=7.68A, C=5.43A).

However, each electrode defaults to 2 of these unit cells when you create device from bulk. The Si in the electrode is then sized at  (A=7.68A, B=7.68A, C=10.86A). Therefore the volume use in doping should be 640.42 A^3 and not 320.21 A^3? 

Thank for any feedback.

Title: Re: SiNW Tutorial Doping typo?
Post by: Umberto Martinez on June 2, 2015, 10:10

Hello there, you are absolutely right! Indeed in the tutorial the electrode configurations are repeated two times in the C direction.
So yes, you have to use  640.42 A^3 in order to calculate the correct charge per atom.

Thanks for reporting the issue, we will correct the tutorial ASAP